D150-0314 Screening compound: N-(6-ethyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(4-methylbenzyl)amine

D150-0314 Screening compound: N-(6-ethyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(4-methylbenzyl)amine
D150-0314 Screening compound: N-(6-ethyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(4-methylbenzyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D150-0314
N-(6-ethyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(4-methylbenzyl)amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D150-0314

Molecular Formula

C16H19N5 (C16 H19 N5)

Compound Name

N-(6-ethyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(4-methylbenzyl)amine

IUPAC name

6-ethyl-7-methyl-N-[(4-methylphenyl)methyl]-[124]triazolo[43-a]pyrimidin-5-amine

SMILES

CCc(c(C)n1)c(NCc2ccc(C)cc2)n2c1nnc2

InChI

InChI=1S/C16H19N5/c1-4-14-12(3)19-16-20-18-10-21(16)15(14)17-9-13-7-5-11(2)6-8-13/h5-8,10,17H,4,9H2,1-3H3

InChI Key

HCDIHZMTWOQEMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-2.56

Polar Surface Area

42.402

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

D150-0314 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D150-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D150-0314?
Check Price and Availability of D150-0314, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D150-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D150-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D150-0314
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D150-0314 available by request